7-prop-2-enylsulfanylheptan-2-ol

C10H20OS — CID 87533160

IUPAC7-prop-2-enylsulfanylheptan-2-ol
SMILESC=CCSCCCCCC(C)O
InChIInChI=1S/C10H20OS/c1-3-8-12-9-6-4-5-7-10(2)11/h3,10-11H,1,4-9H2,2H3
InChIKeyVSFHYYZLZVLYGI-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.85
Rot. Bonds8

About 7-prop-2-enylsulfanylheptan-2-ol

7-prop-2-enylsulfanylheptan-2-ol (PubChem CID 87533160) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 7-prop-2-enylsulfanylheptan-2-ol.

Molecular Properties

Compound Name7-prop-2-enylsulfanylheptan-2-ol
PubChem CID87533160
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name7-prop-2-enylsulfanylheptan-2-ol
SMILESC=CCSCCCCCC(C)O
InChIInChI=1S/C10H20OS/c1-3-8-12-9-6-4-5-7-10(2)11/h3,10-11H,1,4-9H2,2H3
InChIKeyVSFHYYZLZVLYGI-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enylsulfanylheptan-2-ol?
The IUPAC name of 7-prop-2-enylsulfanylheptan-2-ol (CID 87533160) is 7-prop-2-enylsulfanylheptan-2-ol.
What is the SMILES notation for 7-prop-2-enylsulfanylheptan-2-ol?
The canonical SMILES for 7-prop-2-enylsulfanylheptan-2-ol is C=CCSCCCCCC(C)O.
What is the InChIKey of 7-prop-2-enylsulfanylheptan-2-ol?
The InChIKey is VSFHYYZLZVLYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-3-8-12-9-6-4-5-7-10(2)11/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 7-prop-2-enylsulfanylheptan-2-ol?
7-prop-2-enylsulfanylheptan-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enylsulfanylheptan-2-ol is sourced from PubChem (CID 87533160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).